SCHEMBL23398388

SCHEMBL23398388

CCCc1cnn(-c2ccc(C)c(C)c2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 2/20 0.39
XBP1 P17861 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23399736 0.92 ALDH1A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23400509 0.88 ALDH1A1 (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23402994 0.83 RAB9A (0.43) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23400693 0.81 ALDH1A1 (0.41) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23401254 0.81 NPC1 (0.45) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23402682 0.79 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23402338 0.78 USP2 (0.47) MAPTALDH1A1LMNAGAATSHR
SCHEMBL23398492 0.75 HIF1A (0.42) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23398771 0.75 RAB9A (0.41) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL28053397 0.74 ALDH1A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed